Chlorine in PDB 3f2i: Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422.

The structure of Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422., PDB code: 3f2i was solved by F.Forouhar, S.Lew, J.Seetharaman, S.Sahdev, R.Xiao, E.L.Foote, C.Ciccosanti, R.L.Belote, R.Nair, J.K.Everett, T.B.Acton, B.Rost, G.T.Montelione, L.Tong, J.F.Hunt, Northeast Structural Genomicsconsortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.099, 94.329, 92.062, 90.00, 93.64, 90.00
R / Rfree (%)	19.6 / 24

The binding sites of Chlorine atom in the Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422. (pdb code 3f2i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422., PDB code: 3f2i:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:37.7 occ:1.00 NH1 A:ARG161 3.4 19.7 1.0 N A:ARG161 3.4 19.4 1.0 CD A:PRO160 3.5 16.1 1.0 CG A:ARG161 3.5 32.8 1.0 CB A:ARG161 3.6 18.6 1.0 CD A:ARG161 3.9 30.3 1.0 N A:PRO160 3.9 15.6 1.0 CB A:PRO159 4.0 13.8 1.0 CB A:PRO160 4.1 26.4 1.0 CA A:ARG161 4.1 25.6 1.0 CG A:PRO160 4.2 21.4 1.0 CA A:PRO160 4.4 16.9 1.0 C A:PRO160 4.4 15.2 1.0 CZ A:ARG161 4.5 38.5 1.0 C A:PRO159 4.5 15.2 1.0 NZ A:LYS32 4.6 47.8 1.0 NE A:ARG161 4.6 37.5 1.0 NZ A:LYS133 4.7 44.9 1.0 CG A:LYS133 4.7 12.1 1.0 CG A:PRO159 4.7 15.2 1.0 CA A:PRO159 4.8 11.5 1.0 CB A:LYS133 4.8 13.7 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:27.7 occ:1.00 NH1 B:ARG161 3.3 17.0 1.0 N B:ARG161 3.3 23.8 1.0 CG B:ARG161 3.5 27.7 1.0 CD B:PRO160 3.5 10.0 1.0 CB B:ARG161 3.6 27.5 1.0 N B:PRO160 3.8 15.4 1.0 CB B:PRO159 3.9 12.2 1.0 CD B:ARG161 4.0 29.6 1.0 CA B:ARG161 4.1 27.6 1.0 CB B:PRO160 4.1 24.3 1.0 CG B:PRO160 4.2 18.1 1.0 C B:PRO160 4.3 19.3 1.0 CA B:PRO160 4.3 20.4 1.0 CZ B:ARG161 4.4 32.0 1.0 C B:PRO159 4.4 13.3 1.0 CG B:LYS133 4.5 14.1 1.0 CB B:LYS133 4.6 13.0 1.0 CA B:PRO159 4.7 11.4 1.0 NE B:ARG161 4.7 33.9 1.0 CG B:PRO159 4.7 10.8 1.0 O B:HOH173 4.8 19.8 1.0 NZ B:LYS133 4.9 47.7 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:35.0 occ:1.00 NH1 C:ARG161 3.2 19.4 1.0 N C:ARG161 3.4 13.4 1.0 CG C:ARG161 3.5 32.9 1.0 CD C:PRO160 3.5 11.1 1.0 CB C:ARG161 3.6 28.0 1.0 CB C:PRO159 3.8 13.7 1.0 CD C:ARG161 3.8 29.8 1.0 N C:PRO160 3.9 20.2 1.0 CA C:ARG161 4.1 24.1 1.0 CB C:PRO160 4.2 22.8 1.0 CZ C:ARG161 4.3 34.3 1.0 CG C:PRO160 4.3 21.3 1.0 C C:PRO160 4.4 16.2 1.0 CA C:PRO160 4.4 19.8 1.0 C C:PRO159 4.4 18.5 1.0 NE C:ARG161 4.5 36.7 1.0 CG C:PRO159 4.6 16.6 1.0 CG C:LYS133 4.6 15.5 1.0 CA C:PRO159 4.6 15.9 1.0 CB C:LYS133 4.6 18.2 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:31.1 occ:1.00 N D:ARG161 3.2 18.1 1.0 NH1 D:ARG161 3.3 29.8 1.0 CG D:ARG161 3.4 35.8 1.0 CB D:ARG161 3.4 31.3 1.0 CD D:PRO160 3.4 13.1 1.0 N D:PRO160 3.8 14.7 1.0 CB D:PRO159 3.9 16.2 1.0 CD D:ARG161 3.9 28.9 1.0 CA D:ARG161 3.9 30.6 1.0 CB D:PRO160 4.1 24.3 1.0 NZ D:LYS32 4.1 33.3 1.0 CG D:PRO160 4.2 23.6 1.0 C D:PRO160 4.2 22.6 1.0 CA D:PRO160 4.3 21.8 1.0 C D:PRO159 4.3 12.2 1.0 CZ D:ARG161 4.4 38.1 1.0 CE D:LYS32 4.5 37.7 1.0 CA D:PRO159 4.6 8.0 1.0 NE D:ARG161 4.6 32.7 1.0 CG D:PRO159 4.6 14.0 1.0 CG D:LYS133 4.7 15.9 1.0 CB D:LYS133 4.8 7.5 1.0 NZ D:LYS133 4.8 45.4 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422. within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl202 b:35.9 occ:1.00 NH1 E:ARG161 3.0 42.6 1.0 CD E:PRO160 3.4 9.6 1.0 CG E:ARG161 3.5 34.5 1.0 N E:ARG161 3.6 16.8 1.0 CB E:ARG161 3.7 29.4 1.0 CB E:PRO159 3.8 10.4 1.0 O E:HOH339 3.8 39.1 1.0 CD E:ARG161 3.8 34.3 1.0 N E:PRO160 3.9 14.7 1.0 CZ E:ARG161 4.1 43.3 1.0 CG E:PRO160 4.3 20.1 1.0 CA E:ARG161 4.3 27.4 1.0 CB E:PRO160 4.4 16.2 1.0 NE E:ARG161 4.4 38.6 1.0 C E:PRO159 4.5 10.5 1.0 CG E:LYS133 4.5 13.5 1.0 CA E:PRO160 4.5 18.3 1.0 C E:PRO160 4.5 19.1 1.0 CB E:LYS133 4.6 9.8 1.0 CA E:PRO159 4.6 12.3 1.0 CG E:PRO159 4.6 8.4 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422. within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl202 b:24.0 occ:1.00 NH1 F:ARG161 3.3 20.8 1.0 N F:ARG161 3.4 17.5 1.0 CD F:PRO160 3.5 10.8 1.0 CG F:ARG161 3.6 25.0 1.0 CB F:ARG161 3.7 15.0 1.0 NZ F:LYS32 3.9 28.9 1.0 CD F:ARG161 3.9 18.6 1.0 O F:HOH239 3.9 34.8 1.0 N F:PRO160 3.9 10.6 1.0 CB F:PRO159 4.1 4.9 1.0 CA F:ARG161 4.2 20.8 1.0 CB F:PRO160 4.2 16.1 1.0 CE F:LYS32 4.3 27.7 1.0 CG F:PRO160 4.3 13.3 1.0 CZ F:ARG161 4.4 25.2 1.0 C F:PRO160 4.4 15.9 1.0 CA F:PRO160 4.4 12.1 1.0 C F:PRO159 4.5 9.6 1.0 CG F:LYS133 4.5 13.7 1.0 NE F:ARG161 4.6 26.1 1.0 CB F:LYS133 4.6 9.2 1.0 CA F:PRO159 4.7 14.6 1.0 CG F:PRO159 4.9 10.8 1.0 NZ F:LYS133 5.0 46.0 1.0

F.Forouhar, S.Lew, J.Seetharaman, S.Sahdev, R.Xiao, E.L.Foote, C.Ciccosanti, R.L.Belote, R.Nair, J.K.Everett, T.B.Acton, B.Rost, G.T.Montelione, L.Tong, J.F.Hunt. Crystal Structure of the ALR0221 Protein From Nostoc, Northeast Structural Genomics Consortium Target NSR422. To Be Published.